2-[(3S)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanol;2-[(3R)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanol;2-(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl)ethanol;1-(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl)propan-2-one;deuterio(fluoro)methane;ethyl 2-amino-4-(2-oxopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate;ethyl 2-cyanoacetate;formamide;oxolane;2-(2-oxopropyl)cyclopentan-1-one;3-(2-oxopropyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one;phosphoryl trichloride

C89H106Cl7FN13O16PS6 — CID 158138147

IUPAC2-[(3S)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanol;2-[(3R)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanol;2-(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl)ethanol;1-(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl)propan-2-one;deuterio(fluoro)methane;ethyl 2-amino-4-(2-oxopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate;ethyl 2-cyanoacetate;formamide;oxolane;2-(2-oxopropyl)cyclopentan-1-one;3-(2-oxopropyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one;phosphoryl trichloride
SMILESC1CCOC1.CC(=O)CC1CCCC1=O.CC(=O)CC1CCc2sc3nc[nH]c(=O)c3c21.CC(=O)CC1CCc2sc3ncnc(Cl)c3c21.CCOC(=O)CC#N.CCOC(=O)c1c(N)sc2c1C(CC(C)=O)CC2.NC=O.O=P(Cl)(Cl)Cl.OCCC1CCc2sc3ncnc(Cl)c3c21.OCC[C@@H]1CCc2sc3ncnc(Cl)c3c21.OCC[C@H]1CCc2sc3ncnc(Cl)c3c21.[2H]CF
InChIInChI=1S/C13H17NO3S.C12H11ClN2OS.C12H12N2O2S.3C11H11ClN2OS.C8H12O2.C5H7NO2.C4H8O.CH3F.CH3NO.Cl3OP/c1-3-17-13(16)11-10-8(6-7(2)15)4-5-9(10)18-12(11)14;1-6(16)4-7-2-3-8-9(7)10-11(13)14-5-15-12(10)17-8;1-6(15)4-7-2-3-8-9(7)10-11(16)13-5-14-12(10)17-8;3*12-10-9-8-6(3-4-15)1-2-7(8)16-11(9)14-5-13-10;1-6(9)5-7-3-2-4-8(7)10;1-2-8-5(7)3-4-6;1-2-4-5-3-1;1-2;2-1-3;1-5(2,3)4/h8H,3-6,14H2,1-2H3;5,7H,2-4H2,1H3;5,7H,2-4H2,1H3,(H,13,14,16);3*5-6,15H,1-4H2;7H,2-5H2,1H3;2-3H2,1H3;1-4H2;1H3;1H,(H2,2,3);/t;;;2*6-;;;;;;;/m...10......./s1/i;;;;;;;;;1D;;
InChIKeyFTPJFECCCCFEGC-UJBDVHTJSA-N
MW2105.45 g/mol
LogP21.23
Rot. Bonds18

About 2-[(3S)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanol;2-[(3R)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanol;2-(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl)ethanol;1-(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl)propan-2-one;deuterio(fluoro)methane;ethyl 2-amino-4-(2-oxopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate;ethyl 2-cyanoacetate;formamide;oxolane;2-(2-oxopropyl)cyclopentan-1-one;3-(2-oxopropyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one;phosphoryl trichloride

2-[(3S)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanol;2-[(3R)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanol;2-(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl)ethanol;1-(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl)propan-2-one;deuterio(fluoro)methane;ethyl 2-amino-4-(2-oxopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate;ethyl 2-cyanoacetate;formamide;oxolane;2-(2-oxopropyl)cyclopentan-1-one;3-(2-oxopropyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one;phosphoryl trichloride (PubChem CID 158138147) has the molecular formula C89H106Cl7FN13O16PS6 and a molecular weight of 2105.45 g/mol. Its IUPAC name is 2-[(3S)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanol;2-[(3R)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanol;2-(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl)ethanol;1-(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl)propan-2-one;deuterio(fluoro)methane;ethyl 2-amino-4-(2-oxopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate;ethyl 2-cyanoacetate;formamide;oxolane;2-(2-oxopropyl)cyclopentan-1-one;3-(2-oxopropyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one;phosphoryl trichloride.

Molecular Properties

Compound Name2-[(3S)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanol;2-[(3R)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanol;2-(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl)ethanol;1-(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl)propan-2-one;deuterio(fluoro)methane;ethyl 2-amino-4-(2-oxopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate;ethyl 2-cyanoacetate;formamide;oxolane;2-(2-oxopropyl)cyclopentan-1-one;3-(2-oxopropyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one;phosphoryl trichloride
PubChem CID158138147
Molecular FormulaC89H106Cl7FN13O16PS6
Molecular Weight2105.45 g/mol
Exact Mass2100.38
IUPAC Name2-[(3S)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanol;2-[(3R)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanol;2-(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl)ethanol;1-(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl)propan-2-one;deuterio(fluoro)methane;ethyl 2-amino-4-(2-oxopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate;ethyl 2-cyanoacetate;formamide;oxolane;2-(2-oxopropyl)cyclopentan-1-one;3-(2-oxopropyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one;phosphoryl trichloride
SMILESC1CCOC1.CC(=O)CC1CCCC1=O.CC(=O)CC1CCc2sc3nc[nH]c(=O)c3c21.CC(=O)CC1CCc2sc3ncnc(Cl)c3c21.CCOC(=O)CC#N.CCOC(=O)c1c(N)sc2c1C(CC(C)=O)CC2.NC=O.O=P(Cl)(Cl)Cl.OCCC1CCc2sc3ncnc(Cl)c3c21.OCC[C@@H]1CCc2sc3ncnc(Cl)c3c21.OCC[C@H]1CCc2sc3ncnc(Cl)c3c21.[2H]CF
InChIInChI=1S/C13H17NO3S.C12H11ClN2OS.C12H12N2O2S.3C11H11ClN2OS.C8H12O2.C5H7NO2.C4H8O.CH3F.CH3NO.Cl3OP/c1-3-17-13(16)11-10-8(6-7(2)15)4-5-9(10)18-12(11)14;1-6(16)4-7-2-3-8-9(7)10-11(13)14-5-15-12(10)17-8;1-6(15)4-7-2-3-8-9(7)10-11(16)13-5-14-12(10)17-8;3*12-10-9-8-6(3-4-15)1-2-7(8)16-11(9)14-5-13-10;1-6(9)5-7-3-2-4-8(7)10;1-2-8-5(7)3-4-6;1-2-4-5-3-1;1-2;2-1-3;1-5(2,3)4/h8H,3-6,14H2,1-2H3;5,7H,2-4H2,1H3;5,7H,2-4H2,1H3,(H,13,14,16);3*5-6,15H,1-4H2;7H,2-5H2,1H3;2-3H2,1H3;1-4H2;1H3;1H,(H2,2,3);/t;;;2*6-;;;;;;;/m...10......./s1/i;;;;;;;;;1D;;
InChIKeyFTPJFECCCCFEGC-UJBDVHTJSA-N
XLogP21.23
TPSA466.71 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds18
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002105.45
LogP ≤ 521.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-[(3S)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanol;2-[(3R)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanol;2-(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl)ethanol;1-(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl)propan-2-one;deuterio(fluoro)methane;ethyl 2-amino-4-(2-oxopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate;ethyl 2-cyanoacetate;formamide;oxolane;2-(2-oxopropyl)cyclopentan-1-one;3-(2-oxopropyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one;phosphoryl trichloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanol;2-[(3R)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanol;2-(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl)ethanol;1-(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl)propan-2-one;deuterio(fluoro)methane;ethyl 2-amino-4-(2-oxopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate;ethyl 2-cyanoacetate;formamide;oxolane;2-(2-oxopropyl)cyclopentan-1-one;3-(2-oxopropyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one;phosphoryl trichloride?
The IUPAC name of 2-[(3S)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanol;2-[(3R)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanol;2-(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl)ethanol;1-(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl)propan-2-one;deuterio(fluoro)methane;ethyl 2-amino-4-(2-oxopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate;ethyl 2-cyanoacetate;formamide;oxolane;2-(2-oxopropyl)cyclopentan-1-one;3-(2-oxopropyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one;phosphoryl trichloride (CID 158138147) is 2-[(3S)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanol;2-[(3R)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanol;2-(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl)ethanol;1-(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl)propan-2-one;deuterio(fluoro)methane;ethyl 2-amino-4-(2-oxopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate;ethyl 2-cyanoacetate;formamide;oxolane;2-(2-oxopropyl)cyclopentan-1-one;3-(2-oxopropyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one;phosphoryl trichloride.
What is the SMILES notation for 2-[(3S)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanol;2-[(3R)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanol;2-(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl)ethanol;1-(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl)propan-2-one;deuterio(fluoro)methane;ethyl 2-amino-4-(2-oxopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate;ethyl 2-cyanoacetate;formamide;oxolane;2-(2-oxopropyl)cyclopentan-1-one;3-(2-oxopropyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one;phosphoryl trichloride?
The canonical SMILES for 2-[(3S)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanol;2-[(3R)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanol;2-(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl)ethanol;1-(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl)propan-2-one;deuterio(fluoro)methane;ethyl 2-amino-4-(2-oxopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate;ethyl 2-cyanoacetate;formamide;oxolane;2-(2-oxopropyl)cyclopentan-1-one;3-(2-oxopropyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one;phosphoryl trichloride is C1CCOC1.CC(=O)CC1CCCC1=O.CC(=O)CC1CCc2sc3nc[nH]c(=O)c3c21.CC(=O)CC1CCc2sc3ncnc(Cl)c3c21.CCOC(=O)CC#N.CCOC(=O)c1c(N)sc2c1C(CC(C)=O)CC2.NC=O.O=P(Cl)(Cl)Cl.OCCC1CCc2sc3ncnc(Cl)c3c21.OCC[C@@H]1CCc2sc3ncnc(Cl)c3c21.OCC[C@H]1CCc2sc3ncnc(Cl)c3c21.[2H]CF.
What is the InChIKey of 2-[(3S)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanol;2-[(3R)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanol;2-(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl)ethanol;1-(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl)propan-2-one;deuterio(fluoro)methane;ethyl 2-amino-4-(2-oxopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate;ethyl 2-cyanoacetate;formamide;oxolane;2-(2-oxopropyl)cyclopentan-1-one;3-(2-oxopropyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one;phosphoryl trichloride?
The InChIKey is FTPJFECCCCFEGC-UJBDVHTJSA-N. The full InChI is InChI=1S/C13H17NO3S.C12H11ClN2OS.C12H12N2O2S.3C11H11ClN2OS.C8H12O2.C5H7NO2.C4H8O.CH3F.CH3NO.Cl3OP/c1-3-17-13(16)11-10-8(6-7(2)15)4-5-9(10)18-12(11)14;1-6(16)4-7-2-3-8-9(7)10-11(13)14-5-15-12(10)17-8;1-6(15)4-7-2-3-8-9(7)10-11(16)13-5-14-12(10)17-8;3*12-10-9-8-6(3-4-15)1-2-7(8)16-11(9)14-5-13-10;1-6(9)5-7-3-2-4-8(7)10;1-2-8-5(7)3-4-6;1-2-4-5-3-1;1-2;2-1-3;1-5(2,3)4/h8H,3-6,14H2,1-2H3;5,7H,2-4H2,1H3;5,7H,2-4H2,1H3,(H,13,14,16);3*5-6,15H,1-4H2;7H,2-5H2,1H3;2-3H2,1H3;1-4H2;1H3;1H,(H2,2,3);/t;;;2*6-;;;;;;;/m...10......./s1/i;;;;;;;;;1D;;.
What are the key properties of 2-[(3S)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanol;2-[(3R)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanol;2-(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl)ethanol;1-(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl)propan-2-one;deuterio(fluoro)methane;ethyl 2-amino-4-(2-oxopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate;ethyl 2-cyanoacetate;formamide;oxolane;2-(2-oxopropyl)cyclopentan-1-one;3-(2-oxopropyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one;phosphoryl trichloride?
2-[(3S)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanol;2-[(3R)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanol;2-(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl)ethanol;1-(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl)propan-2-one;deuterio(fluoro)methane;ethyl 2-amino-4-(2-oxopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate;ethyl 2-cyanoacetate;formamide;oxolane;2-(2-oxopropyl)cyclopentan-1-one;3-(2-oxopropyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one;phosphoryl trichloride has a molecular weight of 2105.45 g/mol, XLogP of 21.23, 18 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanol;2-[(3R)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanol;2-(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl)ethanol;1-(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl)propan-2-one;deuterio(fluoro)methane;ethyl 2-amino-4-(2-oxopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate;ethyl 2-cyanoacetate;formamide;oxolane;2-(2-oxopropyl)cyclopentan-1-one;3-(2-oxopropyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one;phosphoryl trichloride is sourced from PubChem (CID 158138147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).